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8-(Pyridin-3-yl)-2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID EOupvRhz2jz
InChI InChI=1S/C21H20N2O2S/c1-16-7-9-19(10-8-16)26(24,25)23-13-11-17-4-2-6-20(21(17)15-23)18-5-3-12-22-14-18/h2-10,12,14H,11,13,15H2,1H3
InChIKey XJBUVBZSTNMAGY-UHFFFAOYSA-N
Mol Weight 364.46 g/mol
Molecular Formula C21H20N2O2S
Exact Mass 364.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xD36tRnnbf
Name 8-(Pyridin-3-yl)-2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O2S
InChI InChI=1S/C21H20N2O2S/c1-16-7-9-19(10-8-16)26(24,25)23-13-11-17-4-2-6-20(21(17)15-23)18-5-3-12-22-14-18/h2-10,12,14H,11,13,15H2,1H3
InChIKey XJBUVBZSTNMAGY-UHFFFAOYSA-N
Molecular Weight 364.463 g/mol
SMILES C1N(CCc2cccc(c12)-c1cnccc1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0a4l-6694000000-1fa7e9ed6d6119757c94
Source of Spectrum KC-61-8286-14
Synonyms 2-[(4-methylphenyl)sulfonyl]-8-(3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
Wiley ID 1630245